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SCHEMBL9958657

SCHEMBL9958657

CN(C)C[C@@H]1CCCN(OC(=O)Nc2cc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccn2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 20/20 0.48
▸ KDR P35968 19/20 0.48
▸ AURKA O14965 1/20 0.45
▸ FPR1 P21462 1/20 0.45
▸ FPR3 P25089 1/20 0.45
▸ GPR183 P32249 1/20 0.45
▸ SMO Q99835 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FLT4 P35916 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13861548 0.90 MET (0.53) METKDRAURKAFPR1FPR3
SCHEMBL13861545 0.90 MET (0.53) METKDRAURKAFPR1FPR3
SCHEMBL4340618 0.86 MET (0.52) METKDRAURKAFPR1FPR3
SCHEMBL9958796 0.85 MET (0.54) METKDRAURKAFPR1FPR3
SCHEMBL9958300 0.85 MET (0.48) METKDRAURKAFPR1FPR3
SCHEMBL9958448 0.85 MET (0.49) METKDRAURKAFPR1FPR3
SCHEMBL9958118 0.84 MET (0.51) METKDRAURKAFPR1FPR3
SCHEMBL9958154 0.83 MET (0.52) METKDRAURKAFPR1FPR3
SCHEMBL9958079 0.83 MET (0.53) METKDRAURKAFPR1FPR3
SCHEMBL13861463 0.82 MET (0.50) METKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 — — EP claimed